N-{(E)-2-[(Z)-Hydroxyimino]-4-methyl-5-nitro-hept-3-enyl}-nicotinamide | 174022-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-{(E)-2-[(Z)-Hydroxyimino]-4-methyl-5-nitro-hept-3-enyl}-nicotinamide
• 英文别名: N-[(E,2Z)-2-hydroxyimino-4-methyl-5-nitrohept-3-enyl]pyridine-3-carboxamide
• CAS: 174022-02-7
• 化学式: C₁₄H₁₈N₄O₄
• 分子量: 306.321
• InChiKey: QPKDTNLZHQSOBR-VXGMZCCXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(2-diethoxyphosphoryl-ethyl)-3-pyridinecarboxamide 在 盐酸 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 lithium diisopropyl amide 、 sodium nitrite 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 生成 N-{(E)-2-[(Z)-Hydroxyimino]-4-methyl-5-nitro-hept-3-enyl}-nicotinamide
  参考文献：
  名称：

  New reagents for controlled release of nitric oxide. Structure-stability relationships

  摘要：

  The synthesis and structure-stability relationships of a series of novel FK409 derivatives (1, 2, and 3) are described. The rates of decomposition in aqueous solution (pH 8.0, 30 degrees C) were parallel with those of spontaneous NO release measured by ESR spectroscopy using carboxy-PTIO. The compounds can cover a wide range of NO releasing rates by appropriate modification of the molecule.

  DOI：

  10.1016/0960-894x(95)00547-7

文献信息

• New reagents for controlled release of nitric oxide. Structure-stability relationships
  作者：Masayuki Kato、Shigetaka Nishino、Mitsuko Ohno、Shinichi Fukuyama、Yasuhiro Kita、Yoshimi Hirasawa、Isao Nakanishi、Hisashi Takasugi、Kazuo Sakane

  DOI：10.1016/0960-894x(95)00547-7

  日期：1996.1

  The synthesis and structure-stability relationships of a series of novel FK409 derivatives (1, 2, and 3) are described. The rates of decomposition in aqueous solution (pH 8.0, 30 degrees C) were parallel with those of spontaneous NO release measured by ESR spectroscopy using carboxy-PTIO. The compounds can cover a wide range of NO releasing rates by appropriate modification of the molecule.